4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol

C16H14N4OS — CID 11266891

IUPAC4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(O)cc3)ncc1CC2
InChIInChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
InChIKeyUZIOINNWQLHWHQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.46
Rot. Bonds2

About 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol

4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol (PubChem CID 11266891) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
PubChem CID11266891
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(O)cc3)ncc1CC2
InChIInChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
InChIKeyUZIOINNWQLHWHQ-UHFFFAOYSA-N
XLogP3.46
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The IUPAC name of 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol (CID 11266891) is 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol.
What is the SMILES notation for 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The canonical SMILES for 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol is Cc1nc2c(s1)-c1nc(Nc3ccc(O)cc3)ncc1CC2.
What is the InChIKey of 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The InChIKey is UZIOINNWQLHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20).
What are the key properties of 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol has a molecular weight of 310.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol is sourced from PubChem (CID 11266891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).